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Chemical Entities of Biological Interest Ontology
Last uploaded:
December 1, 2024
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| Preferred Name | ceftaroline | |
| Synonyms |
T 91825 T-91825 PPI 0903M (6R,7R)-7-{[(2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-(ethoxyimino)acetyl]amino}-3-{[4-(1-methylpyridinium-4-yl)-1,3-thiazol-2-yl]sulfanyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate |
|
| Definitions |
A cephalosporin that is the active metabolite of the prodrug ceftaroline fosamil. Used for the treatment of adults with acute bacterial skin and skin structure infections. |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_70729 |
|
| charge |
0
|
|
| database_cross_reference |
PMID:22398650 PMID:22733066 PMID:23070161 PMID:22491687 PMID:22764328 PMID:22294860 PMID:22796201 PMID:22354289 PMID:23027193 PMID:22903950 PMID:22903951 PMID:22355258 PMID:16048970 Reaxys:9532372 PMID:22547933 PMID:22311935 PMID:22470115 PMID:22903952 CAS:189345-04-8 PMID:23023107 PMID:22467630 PMID:22869564 PMID:22903949 PMID:22330908 PMID:22357801
|
|
| definition |
A cephalosporin that is the active metabolite of the prodrug ceftaroline fosamil. Used for the treatment of adults with acute bacterial skin and skin structure infections.
|
|
| formula |
C22H20N8O5S4
|
|
| has role |
http://purl.obolibrary.org/obo/CHEBI_49103 |
|
| has_exact_synonym |
(6R,7R)-7-{[(2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-(ethoxyimino)acetyl]amino}-3-{[4-(1-methylpyridinium-4-yl)-1,3-thiazol-2-yl]sulfanyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
|
|
| has_obo_namespace |
chebi_ontology
|
|
| has_related_synonym |
T 91825 T-91825 PPI 0903M
|
|
| id |
CHEBI:70729
|
|
| in_subset | ||
| inchi |
InChI=1S/C22H20N8O5S4/c1-3-35-27-13(16-26-21(23)39-28-16)17(31)25-14-18(32)30-15(20(33)34)12(9-36-19(14)30)38-22-24-11(8-37-22)10-4-6-29(2)7-5-10/h4-8,14,19H,3,9H2,1-2H3,(H3-,23,25,26,28,31,33,34)/b27-13-/t14-,19-/m1/s1
|
|
| inchikey |
RGFBRLNVZCCMSV-BIRGHMBHSA-N
|
|
| label |
ceftaroline
|
|
| mass |
604.70500
|
|
| monoisotopicmass |
604.04395
|
|
| notation |
CHEBI:70729
|
|
| prefLabel |
ceftaroline
|
|
| smiles |
[H][C@]12SCC(Sc3nc(cs3)-c3cc[n+](C)cc3)=C(N1C(=O)[C@H]2NC(=O)C(=N/OCC)\c1nsc(N)n1)C([O-])=O
|
|
| treeView |
http://purl.obolibrary.org/obo/CHEBI_23066 http://purl.obolibrary.org/obo/CHEBI_36816 http://purl.obolibrary.org/obo/CHEBI_38099 |
|
| subClassOf |
http://purl.obolibrary.org/obo/CHEBI_23066 http://purl.obolibrary.org/obo/CHEBI_36816 http://purl.obolibrary.org/obo/CHEBI_38099 |
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